SCHEMBL7869778

SCHEMBL7869778

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
CD274 Q9NZQ7 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8712170 0.92 HPGDS (0.53) HPGDSCD274HPGD
SCHEMBL8494593 0.90 HPGDS (0.48) HPGDSCD274SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL7868143 0.89 HPGDS (0.47) HPGDSCD274SMN1; SMN2HPGD
SCHEMBL7869770 0.87 ADRA2A (0.46) SMN1; SMN2
SCHEMBL8707430 0.87 SMN1; SMN2 (0.53) HPGDSSMN1; SMN2
SCHEMBL7869073 0.86 HPGDS (0.51) HPGDSCD274SMN1; SMN2HPGD
SCHEMBL7868103 0.85 ADRA2A (0.45)
SCHEMBL7866501 0.85 KCNH2 (0.45) SMN1; SMN2HPGD
SCHEMBL8491686 0.85 ADRA2A (0.46)
SCHEMBL7873013 0.84 PRMT5 (0.47) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306860-B1 ANTIVIRAL ACTIVITIES AGAINST HEPATATIS B AS WELL AS HUMAN IMMUNODEFICIENCY VIRUS DONG WHA PHARM. INC. CO., LTD. (KR) 2001-10-23 US disclosed